Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 11/20 | 0.62 |
| ▸ | RAB9A | P51151 | 10/20 | 0.62 |
| ▸ | NPC1 | O15118 | 9/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | MAPT | P10636 | 5/20 | 0.62 |
| ▸ | STAT1 | P42224 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 7/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.52 |
| ▸ | LMNA | P02545 | 6/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28620244 | 0.94 | MAPT (0.55) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL28615045 | 0.89 | ALDH1A1 (0.53) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL19626646 | 0.87 | SMN1; SMN2 (0.64) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL28609722 | 0.87 | SMN1; SMN2 (0.48) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL28622636 | 0.85 | GRM5 (0.48) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL28605603 | 0.85 | SMN1; SMN2 (0.62) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL28607526 | 0.85 | ALDH1A1 (0.58) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL28606654 | 0.82 | ALDH1A1 (0.54) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL28607430 | 0.82 | GRM5 (0.52) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL28609715 | 0.81 | USP8 (0.52) | SMN1; SMN2RAB9ANPC1ALDH1A1MAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113248438-A | Pyrazole compound and preparation method thereof | 浙大城市学院 | 2021-08-13 | — | — | CN | claimed |
| CN-113248438-B | Pyrazole compound and preparation method thereof | 浙大城市学院 | 2022-04-12 | — | — | CN | disclosed |
| CN-113248438-A | Pyrazole compound and preparation method thereof | 浙大城市学院 | 2021-08-13 | — | — | CN | disclosed |